[2-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-4-yl]methanamine

C12H10N4S2 — CID 63883544

IUPAC[2-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-4-yl]methanamine
SMILESNCc1cc(Sc2nncs2)nc2ccccc12
InChIInChI=1S/C12H10N4S2/c13-6-8-5-11(18-12-16-14-7-17-12)15-10-4-2-1-3-9(8)10/h1-5,7H,6,13H2
InChIKeyJVQUWCXNYUNCFW-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.70
Rot. Bonds3

About [2-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-4-yl]methanamine

[2-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-4-yl]methanamine (PubChem CID 63883544) has the molecular formula C12H10N4S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is [2-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-4-yl]methanamine
PubChem CID63883544
Molecular FormulaC12H10N4S2
Molecular Weight274.37 g/mol
Exact Mass274.03
IUPAC Name[2-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-4-yl]methanamine
SMILESNCc1cc(Sc2nncs2)nc2ccccc12
InChIInChI=1S/C12H10N4S2/c13-6-8-5-11(18-12-16-14-7-17-12)15-10-4-2-1-3-9(8)10/h1-5,7H,6,13H2
InChIKeyJVQUWCXNYUNCFW-UHFFFAOYSA-N
XLogP2.70
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-4-yl]methanamine?
The IUPAC name of [2-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-4-yl]methanamine (CID 63883544) is [2-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-4-yl]methanamine.
What is the SMILES notation for [2-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-4-yl]methanamine?
The canonical SMILES for [2-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-4-yl]methanamine is NCc1cc(Sc2nncs2)nc2ccccc12.
What is the InChIKey of [2-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-4-yl]methanamine?
The InChIKey is JVQUWCXNYUNCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S2/c13-6-8-5-11(18-12-16-14-7-17-12)15-10-4-2-1-3-9(8)10/h1-5,7H,6,13H2.
What are the key properties of [2-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-4-yl]methanamine?
[2-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-4-yl]methanamine has a molecular weight of 274.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-4-yl]methanamine is sourced from PubChem (CID 63883544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).